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ALA4548659 Name:
4-(((4-benzyl-5-isobutyl-4H-1,2,4-triazol-3-yl)thi
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Mol. Formula:
C27H27FN4OS
M.W.:
474.61
Type:
Unknown
AlogP:
6.21
Polar Surface Area:
59.81
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4525534 Name:
4-Benzyl-5-isobutyl-4H-1,2,4-triazole-3-thiol
Mol. Formula:
C13H17N3S
M.W.:
247.37
Type:
Unknown
AlogP:
2.81
Polar Surface Area:
30.71
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4555739 Name:
2-(4-(4-Benzyl-5-(4-methoxyphenethyl)-4H-1,2,4-tri
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Mol. Formula:
C31H32N6O3
M.W.:
536.64
Type:
Unknown
AlogP:
4.93
Polar Surface Area:
96.09
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4541410 Name:
4-(((4-benzyl-5-ethyl-4H-1,2,4-triazol-3-yl)thio)m
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Mol. Formula:
C25H23FN4OS
M.W.:
446.55
Type:
Unknown
AlogP:
5.57
Polar Surface Area:
59.81
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5094121 Name:
N-(6-(2-((3r,5r,7r)-Adamantan-1-yl)acetamido)hexyl
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Mol. Formula:
C36H50N6O3
M.W.:
614.84
Type:
Unknown
AlogP:
5.69
Polar Surface Area:
110.91
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5092958 Name:
N1-(((3r,5r,7r)-Adamantan-1-yl)methyl)-N11-(4-(2-(
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Mol. Formula:
C48H65N7O4
M.W.:
804.09
Type:
Unknown
AlogP:
8.43
Polar Surface Area:
140.01
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5092661 Name:
N1-(((3r,5r,7r)-Adamantan-1-yl)methyl)-N5-(4-(2-(4
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Mol. Formula:
C42H53N7O4
M.W.:
719.93
Type:
Unknown
AlogP:
6.09
Polar Surface Area:
140.01
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5089219 Name:
N-((3s,5s,7s)-Adamantan-1-yl)-4-(3,4-dimethyl-7-ox
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Mol. Formula:
C28H35N5O2
M.W.:
473.62
Type:
Unknown
AlogP:
4.37
Polar Surface Area:
81.81
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5087129 Name:
N1-(((3r,5r,7r)-Adamantan-1-yl)methyl)-N7-(4-(2-(4
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Mol. Formula:
C44H57N7O4
M.W.:
747.98
Type:
Unknown
AlogP:
6.87
Polar Surface Area:
140.01
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5086138 Name:
N-(2-(2-((3r,5r,7r)-Adamantan-1-yl)acetamido)ethyl
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Mol. Formula:
C32H42N6O3
M.W.:
558.73
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
110.91
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5084808 Name:
N-(2-(2-(2-(2-((3r,5r,7r)-Adamantan-1-yl)acetamido
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Mol. Formula:
C36H50N6O5
M.W.:
646.83
Type:
Unknown
AlogP:
4.16
Polar Surface Area:
129.37
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5084153 Name:
N-(((3r,5r,7r)-Adamantan-1-yl)methyl)-4-(3,4-dimet
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Mol. Formula:
C29H37N5O2
M.W.:
487.65
Type:
Unknown
AlogP:
4.62
Polar Surface Area:
81.81
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5083136 Name:
N-(((3r,5r,7r)-Adamantan-1-yl)methyl)-6-(4-(3,4-di
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Mol. Formula:
C35H48N6O3
M.W.:
600.81
Type:
Unknown
AlogP:
5.30
Polar Surface Area:
110.91
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5082602 Name:
7-(2-((3r,5r,7r)-Adamantan-1-yl)acetamido)-N-(4-(2
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Mol. Formula:
C45H59N7O4
M.W.:
762.01
Type:
Unknown
AlogP:
7.26
Polar Surface Area:
140.01
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5079726 Name:
N-(((3r,5r,7r)-Adamantan-1-yl)methyl)-4-(4-(3,4-di
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Mol. Formula:
C33H44N6O3
M.W.:
572.75
Type:
Unknown
AlogP:
4.52
Polar Surface Area:
110.91
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5077941 Name:
N-(8-(2-((3r,5r,7r)-Adamantan-1-yl)acetamido)octyl
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Mol. Formula:
C38H54N6O3
M.W.:
642.89
Type:
Unknown
AlogP:
6.47
Polar Surface Area:
110.91
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5072868 Name:
N-(4-(2-((3r,5r,7r)-Adamantan-1-yl)acetamido)butyl
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Mol. Formula:
C34H46N6O3
M.W.:
586.78
Type:
Unknown
AlogP:
4.91
Polar Surface Area:
110.91
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4540941 Name:
4-(((4-Benzyl-5-isobutyl-4H-1,2,4-triazol-3-yl)thi
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Mol. Formula:
C21H24N4OS
M.W.:
380.52
Type:
Unknown
AlogP:
3.92
Polar Surface Area:
73.80
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4538447 Name:
4-(((4-benzyl-5-isobutyl-4H-1,2,4-triazol-3-yl)thi
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Mol. Formula:
C28H27F3N4OS
M.W.:
524.61
Type:
Unknown
AlogP:
7.09
Polar Surface Area:
59.81
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4536719 Name:
4-(((4-benzyl-5-isobutyl-4H-1,2,4-triazol-3-yl)thi
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Mol. Formula:
C27H34N4OS
M.W.:
462.66
Type:
Unknown
AlogP:
5.88
Polar Surface Area:
59.81
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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